SCHEMBL5789419

SCHEMBL5789419

NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc(N1CCNCC1)n2-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
HTR3A P46098 2/20 0.42
ALDH1A1 P00352 7/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
HSD17B10 Q99714 4/20 0.41
USP2 O75604 4/20 0.41
CYP2C19 P33261 3/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
TP53 P04637 4/20 0.40
CASP1 P29466 3/20 0.40
LMNA P02545 3/20 0.40
HIF1A Q16665 2/20 0.40
CASP7 P55210 2/20 0.40
MAPK1 P28482 3/20 0.40
MAPT P10636 3/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL5719464 0.95 DPP4 (0.42) DPP4L3MBTL1HTR3AALDH1A1CYP1A2
SCHEMBL5788844 0.93 DPP4 (0.47) DPP4L3MBTL1HTR3AALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL5719457 0.89 DPP4 (0.43) DPP4L3MBTL1HTR3AALDH1A1CYP1A2
SCHEMBL5770482 0.87 DPP4 (0.42) DPP4L3MBTL1HTR3AALDH1A1CYP1A2
SCHEMBL5789358 0.86 DPP4 (0.60) DPP4L3MBTL1ALDH1A1USP2TP53
Trifluoroacetic Acid SCHEMBL5719511 0.86 DPP4 (0.42) DPP4L3MBTL1HTR3AALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL5719504 0.84 DPP4 (0.50) DPP4L3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL5789427 0.83 DPP4 (0.49) DPP4L3MBTL1ALDH1A1CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL5719312 0.82 DPP4 (0.50) DPP4L3MBTL1ALDH1A1LMNAMAPK1
SCHEMBL5789315 0.82 DPP4 (0.50) DPP4L3MBTL1ALDH1A1HSD17B10TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US claimed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP claimed
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 DPP4 1/4885L3MBTL1 1200/4885HTR3A 625/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.